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BDBM50313818 5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-methylimidazolidine-2,4-dione::CHEMBL1078396

SMILES: COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1

InChI Key: InChIKey=PIEMRKVLYXWKFP-UHFFFAOYSA-N

Data: 8 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50313818   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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Article
PubMed
23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9)


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM9


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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PubMed
1.29E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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PubMed
3.19E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50313818
PNG
(5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...)
Show SMILES COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)
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Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair